8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

C22H28N4O2 — CID 163652053

IUPAC8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12
InChIInChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27)
InChIKeyINAMOLSCDQBLNK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.01
Rot. Bonds4

About 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one

8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 163652053) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID163652053
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12
InChIInChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27)
InChIKeyINAMOLSCDQBLNK-UHFFFAOYSA-N
XLogP4.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 59198938
8-methoxy-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 141205821
7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 67133760
N-(2-methoxyethyl)-N-methyl-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
CID 59198681
8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 58574974
8-chloro-7-(4-methylpiperazine-1-carbonyl)-1-phenyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 68709047
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
8-methyl-7-(4-methyl-1,3-dihydroisoindole-2-carbonyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575436
6,7-dimethyl-3-(piperidine-1-carbonyl)-1H-quinolin-2-one
CID 142970191
1-(azepan-1-yl)-8-ethoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198629
8-methyl-1-(oxan-4-yl)-7-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575011

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 163652053) is 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is CCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCCCC4)c(C)cc3n12.
What is the InChIKey of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is INAMOLSCDQBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-15(5-2)20-23-13-19-21(27)24-17-12-16(14(3)11-18(17)26(19)20)22(28)25-9-7-6-8-10-25/h11-13,15H,4-10H2,1-3H3,(H,24,27).
What are the key properties of 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one?
8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 380.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-pentan-3-yl-7-(piperidine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 163652053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).